N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide

C26H30FN5O3 — CID 90456648

IUPACN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H30FN5O3/c1-5-35-25-22(32-8-10-34-11-9-32)12-18(15-28-25)21-14-20(7-6-17(21)2)30-24(33)19-13-23(26(3,4)27)31-29-16-19/h6-7,12-16H,5,8-11H2,1-4H3,(H,30,33)
InChIKeyLSLALUAEWYZHTB-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.54
Rot. Bonds7

About N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide

N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide (PubChem CID 90456648) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide
PubChem CID90456648
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC NameN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H30FN5O3/c1-5-35-25-22(32-8-10-34-11-9-32)12-18(15-28-25)21-14-20(7-6-17(21)2)30-24(33)19-13-23(26(3,4)27)31-29-16-19/h6-7,12-16H,5,8-11H2,1-4H3,(H,30,33)
InChIKeyLSLALUAEWYZHTB-UHFFFAOYSA-N
XLogP4.54
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide (CID 90456648) is N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide?
The InChIKey is LSLALUAEWYZHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-5-35-25-22(32-8-10-34-11-9-32)12-18(15-28-25)21-14-20(7-6-17(21)2)30-24(33)19-13-23(26(3,4)27)31-29-16-19/h6-7,12-16H,5,8-11H2,1-4H3,(H,30,33).
What are the key properties of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide?
N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-fluoropropan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 90456648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).